Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | CCR1 | P32246 | 3/20 | 0.52 |
| ▸ | CCR5 | P51681 | 3/20 | 0.52 |
| ▸ | CCR8 | P51685 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MMP2 | P08253 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | GMNN | O75496 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Phenanthroline SCHEMBL2532986 | 0.86 | KDM4E (0.64) | KDM4EHSP90AA1LMNATDP1CCR1 | |
| Phenanthroline SCHEMBL29278214 | 0.86 | KDM4E (0.64) | KDM4EHSP90AA1LMNATDP1CCR1 | |
| Phenanthroline SCHEMBL28227266 | 0.86 | KDM4E (0.64) | KDM4EHSP90AA1LMNATDP1CCR1 | |
| Phenanthroline SCHEMBL16192743 | 0.86 | KDM4E (0.64) | KDM4EHSP90AA1LMNATDP1CCR1 | |
| Phenanthroline SCHEMBL29188565 | 0.86 | KDM4E (0.64) | KDM4EHSP90AA1LMNATDP1CCR1 | |
| Acetic Acid SCHEMBL8883463 | 0.81 | HSP90AA1 (0.52) | KDM4EHSP90AA1LMNATDP1CCR1 | |
| Phenanthroline SCHEMBL28097109 | 0.80 | LMNA (0.73) | KDM4EHSP90AA1LMNATDP1CCR1 | |
| Phenanthroline SCHEMBL22401704 | 0.79 | LMNA (0.70) | KDM4EHSP90AA1LMNATDP1CCR1 | |
| Phenanthroline SCHEMBL4881417 | 0.79 | LMNA (0.70) | KDM4EHSP90AA1LMNATDP1CCR1 | |
| Phenanthroline SCHEMBL29521774 | 0.77 | LMNA (0.67) | KDM4EHSP90AA1LMNATDP1CCR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5677324-A | MUSCLE RELAXANTS | PFIZER INC. (US) | 1997-10-14 | — | — | US | disclosed |
| EP-0690855-B1 | BENZOPYRANES AS POTASSIUM CHANNEL OPENERS | PFIZER LTD (GB) | 1996-12-18 | — | — | EP | disclosed |
| EP-0690855-A1 | BENZOPYRANES AS POTASSIUM CHANNEL OPENERS | PFIZER LTD (GB) | 1996-01-10 | — | — | EP | disclosed |
| WO-1994020491-A1 | BENZOPYRANES AS POTASSIUM CHANNEL OPENERS | PFIZER LIMITED (GB) | 1994-09-15 | — | — | WO | disclosed |